2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;6-(hydroxymethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

C80H83N15O16 — CID 157322076

About 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;6-(hydroxymethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;6-(hydroxymethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 157322076) has the molecular formula C80H83N15O16 and a molecular weight of 1510.63 g/mol. Its IUPAC name is 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;6-(hydroxymethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

• Compound Name: 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;6-(hydroxymethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
• PubChem CID: 157322076
• Molecular Formula: C80H83N15O16
• Molecular Weight: 1510.63 g/mol
• Exact Mass: 1509.61
• IUPAC Name: 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;6-(hydroxymethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
• SMILES: CC(C)N1CCn2c(CO)cc(=O)c(OCc3ccccc3)c2C1=O.CC(C)N1CCn2c(COC(=O)c3c[nH]c4ncc(C5CC5)nc34)cc(=O)c(O)c2C1=O.CC(C)N1CCn2c(COC(=O)c3c[nH]c4ncc(C5CC5)nc34)cc(=O)c(OCc3ccccc3)c2C1=O.O=C(O)c1c[nH]c2ncc(C3CC3)nc12
• InChI: InChI=1S/C29H29N5O5.C22H23N5O5.C19H22N2O4.C10H9N3O2/c1-17(2)33-10-11-34-20(12-23(35)26(25(34)28(33)36)38-15-18-6-4-3-5-7-18)16-39-29(37)21-13-30-27-24(21)32-22(14-31-27)19-8-9-19;1-11(2)26-5-6-27-13(7-16(28)19(29)18(27)21(26)30)10-32-22(31)14-8-23-20-17(14)25-15(9-24-20)12-3-4-12;1-13(2)20-8-9-21-15(11-22)10-16(23)18(17(21)19(20)24)25-12-14-6-4-3-5-7-14;14-10(15)6-3-11-9-8(6)13-7(4-12-9)5-1-2-5/h3-7,12-14,17,19H,8-11,15-16H2,1-2H3,(H,30,31);7-9,11-12,29H,3-6,10H2,1-2H3,(H,23,24);3-7,10,13,22H,8-9,11-12H2,1-2H3;3-5H,1-2H2,(H,11,12)(H,14,15)
• InChIKey: BEHAVYSWXJFXFK-UHFFFAOYSA-N
• XLogP: 9.04
• TPSA: 400.46 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1510.63
LogP ≤ 5	9.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;6-(hydroxymethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?

The IUPAC name of 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;6-(hydroxymethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 157322076) is 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;6-(hydroxymethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

What is the SMILES notation for 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;6-(hydroxymethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?

The canonical SMILES for 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;6-(hydroxymethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is CC(C)N1CCn2c(CO)cc(=O)c(OCc3ccccc3)c2C1=O.CC(C)N1CCn2c(COC(=O)c3c[nH]c4ncc(C5CC5)nc34)cc(=O)c(O)c2C1=O.CC(C)N1CCn2c(COC(=O)c3c[nH]c4ncc(C5CC5)nc34)cc(=O)c(OCc3ccccc3)c2C1=O.O=C(O)c1c[nH]c2ncc(C3CC3)nc12.

What is the InChIKey of 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;6-(hydroxymethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?

The InChIKey is BEHAVYSWXJFXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O5.C22H23N5O5.C19H22N2O4.C10H9N3O2/c1-17(2)33-10-11-34-20(12-23(35)26(25(34)28(33)36)38-15-18-6-4-3-5-7-18)16-39-29(37)21-13-30-27-24(21)32-22(14-31-27)19-8-9-19;1-11(2)26-5-6-27-13(7-16(28)19(29)18(27)21(26)30)10-32-22(31)14-8-23-20-17(14)25-15(9-24-20)12-3-4-12;1-13(2)20-8-9-21-15(11-22)10-16(23)18(17(21)19(20)24)25-12-14-6-4-3-5-7-14;14-10(15)6-3-11-9-8(6)13-7(4-12-9)5-1-2-5/h3-7,12-14,17,19H,8-11,15-16H2,1-2H3,(H,30,31);7-9,11-12,29H,3-6,10H2,1-2H3,(H,23,24);3-7,10,13,22H,8-9,11-12H2,1-2H3;3-5H,1-2H2,(H,11,12)(H,14,15).

What are the key properties of 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;6-(hydroxymethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?

2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;6-(hydroxymethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 1510.63 g/mol, XLogP of 9.04, 20 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(1,8-dioxo-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;(9-hydroxy-1,8-dioxo-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazin-6-yl)methyl 2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;6-(hydroxymethyl)-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 157322076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).